F0817-0373
TL;DR: F0817-0373 (CAS 397290-66-3) is a chemical compound with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F0817-0373, ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, (E)-ethyl 2-(3-(3-nitrophenyl)acrylamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C21H22N2O5S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 4.7538 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.12494 |
| Heavy Atoms | 29 |
| Complexity | 963.9762 |
Chemical Identifiers
| CAS Number | 397290-66-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
F0817-0373 (CAS 397290-66-3), with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol. IUPAC: ethyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0817-0373
Property Insights of F0817-0373
The XLogP value of 4.7538 indicates that F0817-0373 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for F0817-0373. Following Lipinski's Rule of Five, F0817-0373 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0817-0373?
The CAS number of F0817-0373 is 397290-66-3.
What is the molecular formula of F0817-0373?
The molecular formula of F0817-0373 is C21H22N2O5S.
What is the molecular weight of F0817-0373?
The molecular weight of F0817-0373 is 414.12 g/mol.
Where can I buy F0817-0373?
You can request a quote for F0817-0373 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0817-0373?
Yes, KEHONG BIO provides custom synthesis services for F0817-0373 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.